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Numerical integration within the Hamiltonian (Hybrid) Monte Carlo method Sanz-Serna, Jesús María
Description
The Hamiltonian or Hybrid Monte Carlo (HMC) method is a valuable sampling algorithm used in both molecular dynamics and statistics. Its efficiency very much depends on the numerical integration of the dynamics employed to define the proposal, with Verlet/leapfrog being the algorithm of choice. In the talk I will discuss how different properties of the integrator impact the efficiency of HMC and how to construct novel integrators that significantly improve on Verlet. I will also comment on adaptive integration strategies recently incorporated to some well-known molecular dynamics packages.
Item Metadata
Title |
Numerical integration within the Hamiltonian (Hybrid) Monte Carlo method
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Creator | |
Publisher |
Banff International Research Station for Mathematical Innovation and Discovery
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Date Issued |
2018-11-12T09:10
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Description |
The Hamiltonian or Hybrid Monte Carlo (HMC) method is a valuable sampling algorithm used in both molecular dynamics and statistics. Its efficiency very much depends on the numerical integration of the dynamics employed to define the proposal, with Verlet/leapfrog being the algorithm of choice. In the talk I will discuss how different properties of the integrator impact the efficiency of HMC and how to construct novel integrators that significantly improve on Verlet. I will also comment on adaptive integration strategies recently incorporated to some well-known molecular dynamics packages.
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Extent |
36.0
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Subject | |
Type | |
File Format |
video/mp4
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Language |
eng
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Notes |
Author affiliation: Universidad Carlos III de Madrid
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Series | |
Date Available |
2019-05-12
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Provider |
Vancouver : University of British Columbia Library
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Rights |
Attribution-NonCommercial-NoDerivatives 4.0 International
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DOI |
10.14288/1.0378699
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URI | |
Affiliation | |
Peer Review Status |
Unreviewed
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Scholarly Level |
Faculty
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Rights URI | |
Aggregated Source Repository |
DSpace
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Item Media
Item Citations and Data
Rights
Attribution-NonCommercial-NoDerivatives 4.0 International